Detail information of ReH22C4S4N8Cl8O3

Structure

Basic information

Pretty formulaReH22C4S4N8Cl8O3
Full formulaRe2H44C8S8N16Cl16O6
TagsBis(dithiobisformamidinium) dichloride hexachlororhenate trihydrate
Constituent elementsC; Cl; H; N; O; Re; S;
Number of elements7
Number of sites100
Volume1,364.92551 Å3
Density2.01553 g/cm3
Source Materials Project

Space group

Spacegroup Number63
Hermann MauguinCmcm
Hall-C 2c 2
Crystal SystemOrthorhombic

Lattice Parameters

a17.086 Å b9.002 Å c9.002 Å
α99.699° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-521.42803 eV -5.21428 eV -0.74465 eV 1.44900 eV 5.99984 eV 0.13227 eV